DIACETYLE
2,3-Butanedione
CAS: 431-03-8
Molecular Formula: C4H6O2
DIACETYLE - Names and Identifiers
| Name | 2,3-Butanedione |
| Synonyms | Diacetyl Biacetyl DIACETYLE Butandione 2,3-Buranedione 2,3-Butanedione butane-2,3-dione DiacetylForSynthesis diacetyl,2,3-butanedione Diacetyl, Butane-2,3-dione 2,3-BUTANEDIONE, SYNTHETIC |
| CAS | 431-03-8 |
| EINECS | 207-069-8 |
| InChI | InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H3 |
| InChIKey | QSJXEFYPDANLFS-UHFFFAOYSA-N |
DIACETYLE - Physico-chemical Properties
| Molecular Formula | C4H6O2 |
| Molar Mass | 86.09 |
| Density | 0.985g/mLat 20°C |
| Melting Point | -4--2 °C |
| Boling Point | 88°C(lit.) |
| Flash Point | 45°F |
| JECFA Number | 408 |
| Water Solubility | 200 g/L (20 ºC) |
| Solubility | 200g/l |
| Vapor Presure | 52.2 mm Hg ( 20 °C) |
| Vapor Density | 3 (vs air) |
| Appearance | Liquid |
| Color | Clear yellow |
| Exposure Limit | ACGIH: TWA 0.01 ppm; STEL 0.02 ppmNIOSH: TWA 5 ppb; STEL 25 ppb |
| Merck | 14,2966 |
| BRN | 605398 |
| Storage Condition | Store at +2°C to +8°C. |
| Stability | Stable. Flammable. Incompatible with acids, strong bases, metals, reducing agents, oxidizing agents. Protect from moisture and water. Note low flashpoint. |
| Explosive Limit | 2.4-13.0%(V) |
| Refractive Index | n20/D 1.394(lit.) |
| Physical and Chemical Properties | Density 0.981 boiling point 88°C refractive index 1.391-1.399 flash point 7°C water-soluble 200g/L (20°C) |
| Use | Used for the preparation of cream flavor, is the main raw material for the production of pyrazine flavor |
DIACETYLE - Risk and Safety
| Risk Codes | R11 - Highly Flammable R20/22 - Harmful by inhalation and if swallowed. R38 - Irritating to the skin R41 - Risk of serious damage to eyes R36/38 - Irritating to eyes and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R37/38 - Irritating to respiratory system and skin. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S39 - Wear eye / face protection. |
| UN IDs | UN 2346 3/PG 2 |
| WGK Germany | 2 |
| RTECS | EK2625000 |
| FLUKA BRAND F CODES | 13 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 1580 mg/kg (Jenner) |
DIACETYLE - Upstream Downstream Industry
DIACETYLE - Reference Information
| FEMA | 2370 | DIACETYL |
| olfactory threshold (Odor Threshold) | 0.00005ppm |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| traits | slightly green and yellow liquid with strong smell |
| properties | strong cream fragrance, fermented fragrance, milk fat fragrance, sweet fragrance, etc. |
| use | is used to prepare cream essence and is the main raw material for the production of pyrazine spices. It is mainly used to prepare food essence, is the main flavor of cream essence, and can also be used in milk, cheese and other fragrances. Such as berries, caramel, chocolate, coffee, cherries, vanilla beans, honey, cocoa, fruity, bouquet, smoke, rum, nuts, almonds, ginger, etc. GB 2760-96 stipulates that it is temporarily allowed to use edible spices. Mainly used to prepare cream, cheese fermentation flavor and coffee and other flavors. It is used to prepare cream essence and is the main raw material for the production of pyrazine spices It is mainly used to prepare food flavors. It is the main flavor of cream essence and can also be used in milk, cheese and other fragrances. Such as berries, caramel, chocolate, coffee, cherries, vanilla beans, honey, cocoa, fruity, bouquet, smoke, rum, nuts, almonds, ginger, etc. It can also be used in trace amounts in fresh fruit flavors or new flavors for makeup. It is used to prepare various milk-flavored flavors. It is a flavorant for cream, margarine, dry cool and candy. Also used as gelatin hardener, photographic binder. 2,3-Butanedione (Diacetyl), the molecule implicated in the disease known as popcorn lung, has now been implicated in amyloid-β peptide toxicity associated with Alzheimer holmium disease. Diacetyl accelerate s amyloid-β aggregation-a hallmark of Alzheimer holmium disease. These preliminary finding raise the possibility of long-term neurological toxicity mediated by DA. |
| content analysis | determined by method 1 (hydroxylamine method) in aldehyde and ketone determination method (OT-7). The sample amount taken is 500mg. The equivalent factor (e) in the calculation is 21.52. It should be determined by non-polar column according to the GT-10-4. |
| toxicity | ADI has not yet been specified (FAO/WHO,1994). GRAS(FEMA;FDA,§ 184.1278,2000). |
| use limit | FEMA(mg/kg): soft drink 2.5; Cold drink 5.9; Candy 21; Baked food 44; Pudding 19; Gum candy 35; Shortening 11. |
| production method | in nature, succinone is widely found in essential oils of many plants, such as iris oil, angelica oil, laurel oil, etc., which is the main component of butter and other natural products. Industrial production of diketone is obtained by treating methyl ethyl ketone with nitrous acid to produce butanone oxime, and then decomposing it with dilute sulfuric acid. Or use vinyl acetylene or methyl vinyl ketone to hydrate and reoxidize. The laboratory can use selenium dioxide to oxidize butanone to make it, and also use the method of reacting diketone dioxime with sodium nitrite. It can be prepared by free method from essential oil with high content: 1 part of essential oil is added with 2 parts of phosphoric acid to generate crystalline adduct C4H6O2?2H3PO4, diacetyl is released after adding water. If phosphoric acid is added in excess, the adduct is liquid. It is obtained by special fermentation of glucose. It is synthesized with methyl ethyl ketone as the starting material. Butanone is oxidized with sodium nitrite in the presence of hydrochloric acid, hydrolyzed with sulfuric acid and distilled. |
| category | flammable liquid |
| toxicity classification | highly toxic |
| acute toxicity | oral-rat LD50: 1580 mg/kg; Oral-mouse LD50: 250 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours moderate |
| flammability hazard characteristics | flammability in case of open flame, high temperature and oxidant; Combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| spontaneous combustion temperature | 365°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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View History
DIACETYLE
2-Propyn-1-amine, N,N-bis(1-methylethyl)-3-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
2-羟基-2-(甲氧基甲基)环戊-1-酮
BENZYL OCTYL PHTHALATE
Acetic acid, 2-[3-(hexyloxy)-2,4,6-triiodophenoxy]-
山柰酚3-O-桑布双糖苷
Hydroxychloroquine sulfate Impurity 24
5′-Chlor-2′-methoxyacetoacetanilid
Benzenecarbothioamide, 4-(2-methylpropoxy)-N-[3-(1-pyrrolidinyl)propyl]-
2-Propyn-1-amine, N,N-bis(1-methylethyl)-3-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
2-羟基-2-(甲氧基甲基)环戊-1-酮
BENZYL OCTYL PHTHALATE
Acetic acid, 2-[3-(hexyloxy)-2,4,6-triiodophenoxy]-
山柰酚3-O-桑布双糖苷
Hydroxychloroquine sulfate Impurity 24
5′-Chlor-2′-methoxyacetoacetanilid
Benzenecarbothioamide, 4-(2-methylpropoxy)-N-[3-(1-pyrrolidinyl)propyl]-
Raw Materials for DIACETYLE